CAS Number: 71735-79-0
SMILES : CC1(CC=CCCC=CCCC2C1(O2)C)C
CHEM   : (4Z,8Z)-11,11,12-trimethyl-13-oxabicyclo[10.1.0]trideca-4,8-diene
MOL FOR: C15 H24 O1 
MOL WT : 220.36
------------------------------ EPI SUMMARY (v4.00) --------------------------
 Physical Property Inputs:
    Log Kow (octanol-water):   ------
    Boiling Point (deg C)  :   ------
    Melting Point (deg C)  :   ------
    Vapor Pressure (mm Hg) :   ------
    Water Solubility (mg/L):   ------
    Henry LC (atm-m3/mole) :   ------
 
 Log Octanol-Water Partition Coef (SRC):
    Log Kow (KOWWIN v1.67 estimate) =  5.50
 
Boiling Pt, Melting Pt, Vapor Pressure Estimations (MPBPVP v1.43):
    Boiling Pt (deg C):  279.78  (Adapted Stein & Brown method)
    Melting Pt (deg C):  59.12  (Mean or Weighted MP)
    VP(mm Hg,25 deg C):  0.00477  (Modified Grain method)
    VP (Pa, 25 deg C) :  0.636  (Modified Grain method)
    Subcooled liquid VP: 0.0099 mm Hg (25 deg C, Mod-Grain method)
                       : 1.32 Pa (25 deg C, Mod-Grain method)
 
 Water Solubility Estimate from Log Kow (WSKOW v1.41):
    Water Solubility at 25 deg C (mg/L):  0.6874
       log Kow used: 5.50 (estimated)
       no-melting pt equation used
 
 Water Sol Estimate from Fragments:
    Wat Sol (v1.01 est) =  12.803 mg/L
 
 ECOSAR Class Program (ECOSAR v1.00):
    Class(es) found:
       Epoxides, mono
 
 Henrys Law Constant (25 deg C) [HENRYWIN v3.20]:
   Bond Method :   1.63E-003  atm-m3/mole  (1.65E+002 Pa-m3/mole)
   Group Method:   7.92E-005  atm-m3/mole  (8.02E+000 Pa-m3/mole)
 For Henry LC Comparison Purposes:
   User-Entered Henry LC:  not entered
   Henrys LC [via VP/WSol estimate using User-Entered or Estimated values]:
      HLC:  2.012E-003 atm-m3/mole  (2.039E+002 Pa-m3/mole)
      VP:   0.00477 mm Hg (source: MPBPVP)
      WS:   0.687 mg/L (source: WSKOWWIN)
 
 Log Octanol-Air Partition Coefficient (25 deg C) [KOAWIN v1.10]:
  Log Kow used:  5.50  (KowWin est)
  Log Kaw used:  -1.176  (HenryWin est)
      Log Koa (KOAWIN v1.10 estimate):  6.676
      Log Koa (experimental database):  None
 
 Probability of Rapid Biodegradation (BIOWIN v4.10):
   Biowin1 (Linear Model)         :  -0.0726
   Biowin2 (Non-Linear Model)     :   0.0009
 Expert Survey Biodegradation Results:
   Biowin3 (Ultimate Survey Model):   2.2793  (weeks-months)
   Biowin4 (Primary Survey Model) :   3.2132  (weeks       )
 MITI Biodegradation Probability:
   Biowin5 (MITI Linear Model)    :   0.3303
   Biowin6 (MITI Non-Linear Model):   0.1279
 Anaerobic Biodegradation Probability:
   Biowin7 (Anaerobic Linear Model): -1.1831
 Ready Biodegradability Prediction:   NO
 
Hydrocarbon Biodegradation (BioHCwin v1.01):
    Structure incompatible with current estimation method!
 
 Sorption to aerosols (25 Dec C)[AEROWIN v1.00]:
  Vapor pressure (liquid/subcooled):  1.32 Pa (0.0099 mm Hg)
  Log Koa (Koawin est  ): 6.676
   Kp (particle/gas partition coef. (m3/ug)):
       Mackay model           :  2.27E-006 
       Octanol/air (Koa) model:  1.16E-006 
   Fraction sorbed to airborne particulates (phi):
       Junge-Pankow model     :  8.21E-005 
       Mackay model           :  0.000182 
       Octanol/air (Koa) model:  9.31E-005 
 
 Atmospheric Oxidation (25 deg C) [AopWin v1.92]:
   Hydroxyl Radicals Reaction:
      OVERALL OH Rate Constant = 120.6378 E-12 cm3/molecule-sec
      Half-Life =     0.089 Days (12-hr day; 1.5E6 OH/cm3)
      Half-Life =     1.064 Hrs
   Ozone Reaction:
      OVERALL Ozone Rate Constant =    40.000000 E-17 cm3/molecule-sec
      Half-Life =     0.029 Days (at 7E11 mol/cm3)
      Half-Life =     41.256 Min
   Fraction sorbed to airborne particulates (phi):
      0.000132 (Junge-Pankow, Mackay avg)
      9.31E-005 (Koa method)
    Note: the sorbed fraction may be resistant to atmospheric oxidation
 
 Soil Adsorption Coefficient (KOCWIN v2.00):
      Koc    :  4682  L/kg (MCI method)
      Log Koc:  3.670       (MCI method)
      Koc    :  7529  L/kg (Kow method)
      Log Koc:  3.877       (Kow method)
 
 Aqueous Base/Acid-Catalyzed Hydrolysis (25 deg C) [HYDROWIN v2.00]:
  Total Ka (acid-catalyzed) at 25 deg C :  3.440E+000  L/mol-sec
  Ka Half-Life at pH 7:      23.322  days   
    (Total Ka applies to epoxide(s) only)
 
 Bioaccumulation Estimates (BCFBAF v3.00):
   Log BCF from regression-based method = 3.296 (BCF = 1979 L/kg wet-wt)
   Log Biotransformation Half-life (HL) = 1.2406 days (HL = 17.4 days)
   Log BCF Arnot-Gobas method (upper trophic) = 3.683 (BCF = 4817)
   Log BAF Arnot-Gobas method (upper trophic) = 4.269 (BAF = 1.857e+004)
       log Kow used: 5.50 (estimated)
 
 Volatilization from Water:
    Henry LC:  0.00163 atm-m3/mole  (estimated by Bond SAR Method)
    Half-Life from Model River:      2.048  hours
    Half-Life from Model Lake :      146.8  hours   (6.117 days)
 
 Removal In Wastewater Treatment:
    Total removal:              89.23  percent
    Total biodegradation:        0.70  percent
    Total sludge adsorption:    84.90  percent
    Total to Air:                3.62  percent
      (using 10000 hr Bio P,A,S)
 
 Level III Fugacity Model:
           Mass Amount    Half-Life    Emissions
            (percent)        (hr)       (kg/hr)
   Air       0.0487          0.52         1000       
   Water     9.99            900          1000       
   Soil      87.3            1.8e+003     1000       
   Sediment  2.66            8.1e+003     0          
     Persistence Time: 855 hr